UCSF

ZINC41303890

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.32 7.69 -22.26 1 6 0 81 365.509 6
Hi High (pH 8-9.5) 2.50 6.47 -49.38 0 6 -1 87 364.501 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )